Publications of Dimitrios A. Pantazis

Šrut, A.; Bhattacharjee, S.; Pantazis, D. A.; Krewald, V. Analyzing Spectral Distributions of Charge Transfer Character in Ensembles: a Case Study on the Reaction Center of Photosystem II. Physical Chemistry Chemical Physics 2025.

Mermigki, M. A.; Drosou, M.; Pantazis, D. A. On the Nature of High-Spin Forms in the S₂ State of the Oxygen-Evolving Complex. Chemical Science 2025, 16, 4023–4047.

O'Reilly, A.; Booth, A. M. S.; Smith, G. W. A.; Evans, M. J.; Lim, L. F.; Pantazis, D. A.; Cox, N.; McMullin, C. L.; Fulton, J. R.; Coles, M. P. Reaction of a Potassium Aluminyl with Sn[N(SiMe₃)₂]₂ - Isolation of a Stable, Trimetallic Sn(I) Radical Anion. Chemistry – A European Journal 2025, e202500358.

Santra, G.; Pantazis, D. A. Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response. Chemistry – A European Journal 2025, e202500050.

Kutin, Y.; Koike, T.; Drosou, M.; Schnegg, A.; Pantazis, D. A.; Kasanmascheff, M.; Hansmann, M. M. Ph₃PC – A Monosubstituted C(0) Atom in Its Triplet State. Angewandte Chemie International Edition 2025, 64, e202424166.

Mrozowicz, M.; Chatterjee, S.; Mermigki, M. A.; Pantazis, D. A.; Ritter, T. Meta-Dimethylation of Arenes Via Catellani Reaction from Aryl Thianthrenium Salts. Angewandte Chemie International Edition 2025, 64, e202419472.

Yang, J.; Ansari, M.; Pantazis, D. A.; Zheng, C. H. M.; McDonald, R.; Ferguson, M. J.; Rosenberg, L. Co-Catalyzed P–H Activation and Related Cp*Co(III) Phosphine Complexes. Inorganic Chemistry 2024, 63, 22409–22421.

Santra, G.; Neese, F.; Pantazis, D. A. Extensive Reference Set and Refined Computational Protocol for Calculations of ⁵⁷Fe Mössbauer Parameters. Physical Chemistry Chemical Physics 2024, 26, 23322–23334.

Drosou, M.; Bhattacharjee, S.; Pantazis, D. A. Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of Chemical Theory and Computation 2024, 20, 7210–7226.

Guo, Y.; He, L.; Ding, Y.; Kloo, L.; Pantazis, D. A.; Messinger, J.; Sun, L. Closing Kok’s Cycle of Nature’s Water Oxidation Catalysis. Nature Communications 2024, 15, 5982.

Zanetti-Polzi, L.; Pantazis, D. A.; Daidone, I. Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics. ChemPhotoChem 2024, 8, e202300307.

Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A. Excitation Landscape of the CP43 Photosynthetic Antenna Complex from Multiscale Simulations. Chemical Science 2024, 15, 7269–7284.

Pesara, P.; Szafran, K.; Nguyen, H. C.; Sirohiwal, A.; Pantazis, D. A.; Gabruk, M. Elucidating Substrate Binding in the Light-Dependent Protochlorophyllide Oxidoreductase. Chemical Science 2024, 15, 7767–7780.

Ansari, M.; Bhattacharjee, S.; Pantazis, D. A. Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 2024, 146, 9640–9656.

Belli, R. G.; Muir, V.; Dyck, N. B.; Pantazis, D. A.; Sousa, T. P. A.; Slusar, C. R.; Parkin, H. C.; Rosenberg, L. Exploring Electrophilic Hydrophosphination Via Metal Phosphenium Intermediates. Chemistry – A European Journal 2024, 30, e202302924.

Schumann, S. L.; Kotnig, S.; Kutin, Y.; Drosou, M.; Stratmann, L. M.; Streltsova, Y.; Schnegg, A.; Pantazis, D. A.; Clever, G. H.; Kasanmascheff, M. Structure and Flexibility of Copper-Modified DNA G-Quadruplexes Investigated by ¹⁹F ENDOR Experiments at 34 GHz. Chemistry – A European Journal 2023, 29, e202302527.

Stylianakis, I.; Zervos, N.; Lii, J.-H.; Pantazis, D. A.; Kolocouris, A. Conformational Energies of Reference Organic Molecules: Benchmarking of Common Efficient Computational Methods against Coupled Cluster Theory. Journal of Computer-Aided Molecular Design 2023, 37, 607–656.

Chrysina, M.; Drosou, M.; Castillo, R. G.; Reus, M.; Neese, F.; Krewald, V.; Pantazis, D. A.; DeBeer, S. Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-Ray Absorption Spectroscopy. Journal of the American Chemical Society 2023, 145, 25579–25594.

Sirohiwal, A.; Pantazis, D. A. Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research 2023, 56, 2921–2932.

Hou, K.; Börgel, J.; Jiang, H. Z. H.; SantaLucia, D. J.; Kwon, H.; Zhuang, H.; Chakrawet, K.; Rohde, R. C.; Taylor, J. W.; Dun, C.; Paley, M. V.; Turkiewicz, A. B.; Park, J. G.; Mao, H.; Zhu, Z.; Alp, E. E.; Zhao, J.; Hu, M. Y.; Lavina, B.; Peredkov, S.; Lv, X.; Oktawiec, J.; Meihaus, K. R.; Pantazis, D. A.; Vandone, M.; Colombo, V.; Bill, E.; Urban, J. J.; Britt, R. D.; Grandjean, F.; Long, G. J.; DeBeer, S.; Neese, F.; Reimer, J. A.; Long, J. R. Reactive High-Spin Iron(IV)-Oxo Sites through Dioxygen Activation in a Metal–Organic Framework. Science 2023, 382, 547–553.